Fluorine in PDB 8bcr: DENV3 Methyltransferase in Complexed with at-9010 and Sah

The structure of DENV3 Methyltransferase in Complexed with at-9010 and Sah, PDB code: 8bcr was solved by P.Gauffre, V.Fattorini, B.Canard, F.Ferron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.38 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.26, 184.133, 52.149, 90, 90, 90
R / Rfree (%)	19.5 / 23.4

The binding sites of Fluorine atom in the DENV3 Methyltransferase in Complexed with at-9010 and Sah (pdb code 8bcr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the DENV3 Methyltransferase in Complexed with at-9010 and Sah, PDB code: 8bcr:

Fluorine binding site 1 out of 1 in the DENV3 Methyltransferase in Complexed with at-9010 and Sah


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of DENV3 Methyltransferase in Complexed with at-9010 and Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:45.8 occ:1.00 F4 B:AT9301 0.0 45.8 1.0 C2' B:AT9301 1.4 48.9 1.0 C3' B:AT9301 2.3 40.0 1.0 C3 B:AT9301 2.4 49.7 1.0 C1' B:AT9301 2.5 45.2 1.0 O3' B:AT9301 2.7 44.5 1.0 NZ B:LYS14 2.7 33.8 1.0 C4' B:AT9301 2.9 42.5 1.0 OD1 B:ASN18 3.1 52.1 1.0 CD2 B:LEU17 3.2 29.7 1.0 O4' B:AT9301 3.2 53.0 1.0 N9 B:AT9301 3.7 45.9 1.0 O B:HOH451 3.7 35.9 1.0 CE B:LYS14 3.7 32.9 1.0 CD B:LYS14 3.8 30.8 1.0 CG B:LEU17 4.0 28.2 1.0 CG B:ASN18 4.2 53.6 1.0 C5' B:AT9301 4.2 49.3 1.0 C4 B:AT9301 4.4 49.0 1.0 N3 B:AT9301 4.6 49.4 1.0 ND2 B:ASN18 4.6 49.0 1.0 O B:SER151 4.7 32.1 1.0 C8 B:AT9301 4.7 46.8 1.0 CA B:PRO152 4.7 33.9 1.0 CB B:LEU17 4.7 29.0 1.0 O B:SER213 4.8 24.9 1.0 O B:HOH405 4.9 39.6 1.0

M.Feracci, C.Eydoux, V.Fattorini, L.Lo Bello, P.Gauffre, B.Selisko, P.Sutto-Ortiz, A.Shannon, H.Xia, P.Y.Shi, M.Noel, F.Debart, J.J.Vasseur, S.Good, K.Lin, A.Moussa, J.P.Sommadossi, A.Chazot, K.Alvarez, J.C.Guillemot, E.Decroly, F.Ferron, B.Canard. At-752 Targets Multiple Sites and Activities on the Dengue Virus Replication Enzyme NS5. Antiviral Res. 05574 2023.
ISSN: ISSN 0166-3542
PubMed: 36905944
DOI: 10.1016/J.ANTIVIRAL.2023.105574